N-Benzyl-3-aminopropan-1-ol supplier

Name
N-Benzyl-3-aminopropan-1-ol
EINECS 225-210-1
CAS No. 4720-29-0
Article Data56
CAS DataBase
Density 1.022g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅NO
Boiling Point 289.8 °C at 760 mmHg
Molecular Weight 165.235
Flash Point 117.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propanol,3-(benzylamino)- (6CI,7CI,8CI);3-(Benzylamino)-1-propanol;N-Benzyl-3-aminopropanol;N-Benzyl-3-propanolamine;N-Benzyl-N-(3-hydroxypropyl)amine;N-Benzylpropanolamine;NSC 165603;NSC 17283;N-Benzyl-3-aminopropan-1-ol;
PSA 32.26000
LogP 1.54950

N-Benzyl-3-aminopropan-1-ol Specification

The N-Benzyl-3-aminopropan-1-ol with the cas number 4720-29-0 is also called 1-Propanol,3-[(phenylmethyl)amino]-. Both the systematic name and IUPAC name are 3-(benzylamino)propan-1-ol. Its EINECS registry number is 225-210-1. The molecular formula is C₁₀H₁₅NO.

The properties of the chemical are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 50.19 cm³; (15)Molar Volume: 161.5 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 55.89 kJ/mol; (19)Vapour Pressure: 0.000991 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of benzaldehyde and 3-amino-propan-1-ol. This reaction needs reagent H₂ and catalyst Pt.

Uses: This chemical can react with morpholine to prepare 3-benzyl-2-morpholin-4-yl-[1,3,2]oxazaphosphinane. This reaction needs reagent PCl₃. The yield is 46%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCNCc1ccccc1
(2)InChI: InChI=1/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
(3)InChIKey: ZQJXSIOFSZYGMH-UHFFFAOYAX

Product Name

N-Benzyl-3-aminopropan-1-ol

N-Benzyl-3-aminopropan-1-ol Specification

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